HOME- Bryn Mawr Conference
- Workshops & Training
- 2010 Oxford (Discovery)
- 2010 Oxford (ADMET)
- 2009 Oxford (Discovery)
- 2009 Oxford (ADMET)
- 2008 Oxford
- Beger, R
- Dudgeon, T
- Fishwick, C
- Gata-Aura, J
- Hardy, B
- Massey, B
- Matta, C
- Mazanetz, M
- Moriaud, F
- Oledzki, P
- Plonka, W
- Potter, N
- Teigen, K
- Uhrig, U
- Wolber, G
- Zamora, I
- Bursary Award
- 2006 Oxford
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Dr. Tim Dudgeon studied biochemistry at the University of Oxford, obtaining a B.A. and D.Phil. He worked at British Biotech and OSI Pharamceuticals, where he was responsible for bioinformatics and chemoinformatics IT systems, and worked on creating, managing and using IT systems for all aspects of drug discovery data. In 2003 he founded Informatics Matters, a company providing drug discovery software systems and consultancy to life science organisations. Since then he has worked closely with ChemAxon, and is project manager for Instant JChem, the desktop cheminformatics tool that will be used in this workshop.
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Analysing Structure-Activity Relationship Data using Advanced Structure Searching and Predictions
Workshop Instructor: Tim Dudgeon, ChemAxon
To effectively analyse Structure-Activity Relationship (SAR) data you need a flexible approach, as the answer to one question frequently leads to asking a new completely different question. Doing this with large data sets can be slow and cumbersome. This workshop will show how you can rapidly analyse large sets of chemical and biological information using advanced structure searching techniques and prediction of chemical properties. This will be done using the ChemAxon Instant JChem tool which uses the JChem chemical database for storing and seaching chemical information, and Chemical Terms for flexible calculation of simple molecular properties (H-bond donors/acceptors, rotatable bonds etc.) as well and more complex predictions (partitioning, solubility, biovailability etc.).
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